NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0621 8.2649 123.5622 52.1427 19.5926 176.9267 2 C 4.7541 8.2098 120.0120 55.1418 41.1224 171.0177 3 Y 4.9205 9.6453 118.0600 56.9236 43.0341 173.3222 4 C 5.5756 8.7608 118.4157 55.6918 40.7597 173.6949 5 R 5.2679 9.4762 122.0721 54.6020 34.4127 174.1318 6 I 4.8784 8.6995 122.6223 59.1300 39.3633 173.8868 7 P 4.5089 0.0000 0.0000 63.0905 32.1524 174.9320 8 A 4.7139 7.4064 120.2498 50.5105 22.2234 176.2408 9 C 4.4556 8.5957 117.0828 57.0960 35.7098 174.0052 10 I 4.1486 8.1379 115.0580 59.2306 38.7039 175.1316 11 A 4.0465 8.1462 123.7192 53.8081 18.5025 177.9323 12 G 4.0367 9.0956 110.1779 44.9369 0.0000 173.3113 13 E 4.8808 7.4333 118.0136 54.4383 32.2309 174.9450 14 R 4.5475 8.4688 121.6337 54.3213 32.7780 174.8896 15 R 4.5252 8.4420 126.8165 56.7867 30.2043 175.4068 16 Y 4.3845 9.9020 124.0170 57.2917 39.2939 177.2989 17 G 4.1748 7.1619 105.8409 46.4600 0.0000 170.8649 18 T 5.3501 8.2372 117.2011 62.1763 72.5246 174.2996 19 C 5.0162 9.5130 122.0816 55.4472 43.4523 173.0860 20 I 5.0975 8.3811 122.3501 60.0068 38.9166 174.6906 21 Y 4.6312 9.1240 128.0645 56.9578 41.6584 174.7931 22 A 3.3072 9.1899 129.5340 53.2460 16.1156 177.8211 23 G 3.9492 8.5257 105.2532 47.1540 0.0000 174.1899 24 R 4.6866 8.0355 118.0456 54.0194 33.4043 174.1576 25 L 5.4379 8.1117 119.2028 53.3823 43.4272 176.1458 26 W 5.2036 9.4777 122.1529 54.4737 33.8654 174.5225 27 A 4.5368 9.2720 124.9735 52.1373 19.3396 176.3876 28 F 5.2843 9.4224 125.7357 57.2368 41.0334 173.8718 29 C 5.4473 9.0553 124.2036 55.2770 44.7287 173.8168 30 C 4.5973 9.1290 119.6236 57.1537 41.9784 173.9550 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.21 4.75 0.00 2.89 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 9.65 4.92 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.76 5.58 0.00 2.31 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.48 5.27 0.00 1.89 1.94 0.00 3.08 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 6 I 8.70 4.88 1.54 0.00 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.00 0.71 0.00 0.00 7 P 0.00 4.51 0.00 2.15 2.12 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 8 A 7.41 4.71 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.60 4.46 0.00 2.97 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.14 4.15 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.87 0.00 0.00 11 A 8.15 4.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.43 4.88 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 14 R 8.47 4.55 0.00 1.83 1.69 0.00 2.95 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.83 0.00 15 R 8.44 4.53 0.00 1.85 1.77 0.00 3.31 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 16 Y 9.90 4.38 0.00 3.01 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.16 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.24 5.35 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 19 C 9.51 5.02 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.38 5.10 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.98 0.00 0.00 21 Y 9.12 4.63 0.00 2.80 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 9.19 3.31 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.53 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.04 4.69 0.00 1.91 1.37 0.00 3.18 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.48 0.00 25 L 8.11 5.44 0.00 1.50 1.64 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.48 5.20 0.00 3.28 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 9.27 4.54 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.42 5.28 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 9.06 5.45 0.00 2.89 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 9.13 4.60 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00